N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide

C15H23NO3S — CID 110764877

IUPACN-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-5-6-11-16(4)15(17)13-7-9-14(10-8-13)20(18,19)12(2)3/h7-10,12H,5-6,11H2,1-4H3
InChIKeyGNHBMYHHWDUNNZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.74
Rot. Bonds6

About N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide

N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide (PubChem CID 110764877) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
PubChem CID110764877
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H23NO3S/c1-5-6-11-16(4)15(17)13-7-9-14(10-8-13)20(18,19)12(2)3/h7-10,12H,5-6,11H2,1-4H3
InChIKeyGNHBMYHHWDUNNZ-UHFFFAOYSA-N
XLogP2.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973673
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855791
N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
CID 55754629
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 55760023
6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
CID 166922498
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51222796
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide (CID 110764877) is N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide?
The InChIKey is GNHBMYHHWDUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-6-11-16(4)15(17)13-7-9-14(10-8-13)20(18,19)12(2)3/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide?
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide has a molecular weight of 297.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 110764877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).